5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione

C5H6N2O5 — CID 119096804

IUPAC5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione
SMILESCOC1(O)C(=O)NC(=O)NC1=O
InChIInChI=1S/C5H6N2O5/c1-12-5(11)2(8)6-4(10)7-3(5)9/h11H,1H3,(H2,6,7,8,9,10)
InChIKeyGFEWPEPHNMAJGK-UHFFFAOYSA-N
MW174.11 g/mol
LogP-2.31
Rot. Bonds1

About 5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione

5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione (PubChem CID 119096804) has the molecular formula C5H6N2O5 and a molecular weight of 174.11 g/mol. Its IUPAC name is 5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione
PubChem CID119096804
Molecular FormulaC5H6N2O5
Molecular Weight174.11 g/mol
Exact Mass174.03
IUPAC Name5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione
SMILESCOC1(O)C(=O)NC(=O)NC1=O
InChIInChI=1S/C5H6N2O5/c1-12-5(11)2(8)6-4(10)7-3(5)9/h11H,1H3,(H2,6,7,8,9,10)
InChIKeyGFEWPEPHNMAJGK-UHFFFAOYSA-N
XLogP-2.31
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-2.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[4-(dimethylamino)phenyl]-5-hydroxy-1,3-diazinane-2,4,6-trione
CID 13241128
5-methoxy-1,3-diazinane-2,4,6-trione
CID 15001716
2,3,4,5-tetrafluoro-1-methoxycyclopenta-2,4-dien-1-ol
CID 14765647
5,5-dichloro-1,3-diazinane-2,4,6-trione
CID 139195992
5-ethyl-5-hydroxyimidazolidine-2,4-dione
CID 15593848
(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)oxycarbamic acid
CID 138629132
5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
CID 22163315
5,5-dichloro-6-(chloromethyl)-6-methoxy-1,3-diazinane-2,4-dione
CID 117060351
5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 47003415
methyl (4S,5R)-5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxylate
CID 12890664
5-hydroxy-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 19847219
6-methyl-4-methylidene-1H-pyrimidin-2-one
CID 89337014

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione (CID 119096804) is 5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione is COC1(O)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione?
The InChIKey is GFEWPEPHNMAJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O5/c1-12-5(11)2(8)6-4(10)7-3(5)9/h11H,1H3,(H2,6,7,8,9,10).
What are the key properties of 5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione?
5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione has a molecular weight of 174.11 g/mol, XLogP of -2.31, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 119096804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).